2-(2-phenoxyethylsulfanylmethyl)-5-[4-[(E)-3-pyrrolidin-1-ylprop-1-enyl]phenyl]-1,3-oxazole

Systemtic Name: 2-(2-phenoxyethylsulfanylmethyl)-5-[4-[(E)-3-pyrrolidin-1-ylprop-1-enyl]phenyl]-1,3-oxazole Openeye Name: 2-(2-phenoxyethylsulfanylmethyl)-5-[4-[(E)-3-pyrrolidin-1-ylprop-1-enyl]phenyl]oxazole CAS Name: 2-[(2-phenoxyethylthio)methyl]-5-[4-[(E)-3-(1-pyrrolidinyl)prop-1-enyl]phenyl]oxazole IUPAC Name: 2-(2-phenoxyethylsulfanylmethyl)-5-[4-[(E)-3-pyrrolidin-1-ylprop-1-enyl]phenyl]-1,3-oxazole Traditional Name: 2-[(2-phenoxyethylthio)methyl]-5-[4-[(E)-3-pyrrolidinoprop-1-enyl]phenyl]oxazole Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC=CC2=CC=C(C=C2)C3=CN=C(O3)CSCCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C/C=C/C2=CC=C(C=C2)C3=CN=C(O3)CSCCOC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2S/c1-2-8-23(9-3-1)28-17-18-30-20-25-26-19-24(29-25)22-12-10-21(11-13-22)7-6-16-27-14-4-5-15-27/h1-3,6-13,19H,4-5,14-18,20H2/b7-6+